[gmx-users] Re: Structure preparation for the simulation

Dr. Vitaly V. Chaban vvchaban at gmail.com
Mon Oct 31 13:16:14 CET 2011

> Dear Gromacs Users!
> I'd like to know about external software wich could be used for structure
> processing for the futher simulation in Gromacs. Today I've tried one of the
> most popular such software Amber tools but I've forced with problems during
> compilation of it ") So I'm looking for possible analogues )
> First of all I'm intresting in software for the addition different CAPing
> groups to N and C termi of my protein.
> Is there any plugins for Pymol or VMD for such purposes? I've loked for this
> option in both of that software but couldnot  find
> Thank you for your help,
> James

Among free solutions... maybe this would help:

I don't know molecular editor plugins for VMD, but it would be cool,
if one is accessible.

Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216

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